(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one

C15H18O2 — CID 90923684

IUPAC(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
SMILESO=C1c2ccccc2C[C@@]1(CO)C1CCCC1
InChIInChI=1S/C15H18O2/c16-10-15(12-6-2-3-7-12)9-11-5-1-4-8-13(11)14(15)17/h1,4-5,8,12,16H,2-3,6-7,9-10H2/t15-/m1/s1
InChIKeyQRWSBASRAJBJBW-OAHLLOKOSA-N
MW230.31 g/mol
LogP2.59
Rot. Bonds2

About (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one

(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one (PubChem CID 90923684) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
PubChem CID90923684
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one
SMILESO=C1c2ccccc2C[C@@]1(CO)C1CCCC1
InChIInChI=1S/C15H18O2/c16-10-15(12-6-2-3-7-12)9-11-5-1-4-8-13(11)14(15)17/h1,4-5,8,12,16H,2-3,6-7,9-10H2/t15-/m1/s1
InChIKeyQRWSBASRAJBJBW-OAHLLOKOSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-cyclohexyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
CID 82944714
2-(hydroxymethyl)-3-oxo-N-propan-2-yl-1H-indene-2-carboxamide
CID 156783192
(4aS,9aS)-9a-hydroxy-3,4,4a,10-tetrahydro-2H-anthracene-1,9-dione
CID 134876374
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
3-(2-ethylpiperidine-1-carbonyl)-3-methyl-4H-isochromen-1-one
CID 78791105
2-[(5-cyclohexyl-5-ethyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 135431226
(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
CID 11616801
2-(2-aminoethyl)-2-phenyl-3H-inden-1-one
CID 70864321
(2R,3'S)-3'-propan-2-ylspiro[3H-indene-2,2'-oxirane]-1-one
CID 102246786
ethyl 2-[[(5S)-5-cyclohexyl-5-ethyl-4-oxo-3,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetate
CID 135832854
2,2-diethoxy-3H-inden-1-one
CID 11557601

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one?
The IUPAC name of (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one (CID 90923684) is (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one.
What is the SMILES notation for (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one?
The canonical SMILES for (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one is O=C1c2ccccc2C[C@@]1(CO)C1CCCC1.
What is the InChIKey of (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one?
The InChIKey is QRWSBASRAJBJBW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18O2/c16-10-15(12-6-2-3-7-12)9-11-5-1-4-8-13(11)14(15)17/h1,4-5,8,12,16H,2-3,6-7,9-10H2/t15-/m1/s1.
What are the key properties of (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one?
(2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-2-(hydroxymethyl)-3H-inden-1-one is sourced from PubChem (CID 90923684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).